methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S2/c1-23(15-17-5-9-19(28-2)10-6-17)16-21(25)22-18-7-11-20(12-8-18)29(26,27)24-13-3-4-14-24/h5-12H,3-4,13-16H2,1-2H3,(H,22,25)/p+1